⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL13071180 | 0.87 | HRH1 (0.56) | — | |
| SCHEMBL28007908 | 0.85 | HRH1 (0.59) | — | |
| SCHEMBL151822 | 0.84 | LOXL2 (0.68) | — | |
| Water SCHEMBL31124597 | 0.81 | LOXL2 (0.65) | — | |
| Water SCHEMBL31124596 | 0.81 | LOXL2 (0.65) | — | |
| Ammonia Solution, Strong SCHEMBL9306930 | 0.81 | LOXL2 (0.65) | — | |
| SCHEMBL286912 | 0.80 | — | — | |
| SCHEMBL726645 | 0.79 | HRH1 (0.73) | — | |
| SCHEMBL286016 | 0.79 | — | — | |
| SCHEMBL351920 | 0.79 | HRH1 (0.65) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2020112846-A1 | SMALL MOLECULE MODULATORS OF SIGMA-1 AND SIGMA-2 RECEPTORS AND USES THEREOF | NORTHWESTERN UNIVERSITY (US) | 2020-06-04 | — | — | WO | disclosed |
| US-20190131546-A1 | ORGANIC THIN FILM TRANSISTOR, ORGANIC SEMICONDUCTOR FILM, COMPOUND, ORGANIC THIN FILM TRANSISTOR-FORMING COMPOSITION, AND METHOD OF MANUFACTURING ORGANIC THIN FILM TRANSISTOR | FUJIFILM CORPORATION (JP) | 2019-05-02 | — | — | US | disclosed |
| WO-2019051465-A1 | RAD51 INHIBITORS | CYTEIR THERAPEUTICS, INC. (US) | 2019-03-14 | — | — | WO | disclosed |
| WO-2017082924-A1 | PEPTIDE AND PEPTIDE MIMETIC BINDING ANTAGONISTS OF POLO-LIKE KINASE 1 POLO BOX DOMAIN AND METHODS OF USE | THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH & HUMAN SERVICES (US) | 2017-05-18 | — | — | WO | disclosed |
| WO-2015032286-A1 | TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF | F.HOFFMANN-LA ROCHE AG (CH) | 2015-03-12 | — | — | WO | disclosed |
| WO-2012069605-A1 | NOVEL E,E-DIENE COMPOUNDS AND THEIR USE AS MEDICAMENTS AND COSMETICS | DR. AUGUST WOLFF GMBH & CO. KG ARZNEIMITTEL (DE) | 2012-05-31 | — | — | WO | disclosed |
| EP-1692114-B1 | NOVEL BENZIMIDAZOLE AND IMIDAZOPYRIDINE DERIVATIVES AND USE THEREOF AS A MEDICAMENT | IPSEN PHARMA (FR) | 2010-09-22 | — | — | EP | disclosed |
| EP-1531811-B1 | DERIVATIVES OF 3-HYDROXY-4-(CYCLYL-ALKYLAMINOALKYL)-5-PHENYL-1H-PYRAZOLE AS ANTAGONISTS OF THE GONADOTROPIN RELEASING HORMONE (GNRH) FOR USE IN THE TREATMENT OF SEX HORMONE RELATED CONDITIONS, SUCH AS PROSTATIC OF UTERINE CANCER | ASTRAZENECA AB (SE) | 2008-10-29 | — | — | EP | disclosed |
| WO-2007134434-A1 | PHENANTHRENE DERIVATIVES AS MPGES-1 INHIBITORS | MERCK FROSST CANADA LTD. (CA) | 2007-11-29 | — | — | WO | disclosed |